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Öğe A Crystallographic, EPR and DFT Investigations of a Novel Magnetically Silent Mono-atom Acetate-Bridged Binuclear Schiff Base-Copper(II) Complex(2017) Demir, Serkan; Yerli, Yusuf; Öztürk, Mustafa; Saral, Hasan; Temel, Ersin; Başgel, SerkanA recent example of one-atom acetate bridged symmetric dinuclear copper(II) complexes, Di-µ-acetato-bis{1- ((pyridin-2-ylmethylimino)methyl)naphthoxo}copper(II) ([Cu2(NP)2(Ac)2]•2MetOH(1)) (HNP=1-((pyridin-2- ylmethylimino)methyl)naphthol)) have been prepared and characterized by X-ray crystallography, Elemental analyses, ESI-mass, UV-Vis and IR spectroscopic techniques. Magnetic properties of the complex have been probed by EPR measurements and the presence of spin-only paramagnetism of the compound with none of significant exchange coupling has been demonstrated unlike ferro or antiferromagnetism that was otherwise observed in all other analogous structures previously reported. The existence of a trivial ferromagnetic exchange which is quantitatively ignorable has been suggested by DFT-Broken Symmetry calculations performed at crystallographically characterized experimental geometry.Öğe DFT calculations, spectroscopy and antioxidant activity studies on (E)-2-nitro-4-[(phenylimino)methyl]phenol(Pergamon-Elsevier Science Ltd, 2015) Temel, Ersin; Alasalvar, Can; Gokce, Halil; Guder, Aytac; Albayrak, Cigdem; Alpaslan, Yelda Bingol; Alpaslan, GokhanWe have reported synthesis and characterization of (E)-2-nitro-4-[(phenylimino)methyl]phenol by using X-ray crystallographic method, FT-IR and UV vis spectroscopies and density functional theory (DFT). Optimized geometry and vibrational frequencies of the title compound in the ground state have been computed by using B3LYP with the 6-311G+(d,p) basis set. HOMO LUMO energy gap, Non-linear optical properties and NBO analysis of the compound are performed at B3LYP/6-311G+(d,p) level. Additionally, as remarkable properties, antioxidant activity of the title compound (CMPD) has been determined by using different antioxidant test methods i.e. ferric reducing antioxidant power (FRAP), hydrogen peroxide scavenging (HPSA), free radical scavenging (FRSA) and ferrous ion chelating activities (FICA). When compared with standards (BHA, BHT, and alpha-tocopherol), we have concluded that CPMD has effective FRAP, HPSA, FRSA and FICA. (C) 2014 Elsevier B.V. All rights reserved.Öğe Mono and dinuclear copper(II) naproxenato complexes containing 3-picoline and 4-picoline: synthesis, structure, properties, catechol oxidase, and antimicrobial activities(Taylor & Francis Ltd, 2014) Caglar, Sema; Adiguzel, Ekrem; Sariboga, Bahtiyar; Temel, Ersin; Buyukgungor, OrhanMononuclear and dinuclear copper(II) complexes [Cu-2(mu-nap)(4)(3-pic)(2)] (1) and [Cu(nap)(2)(H2O)(4-pic)(2)] (2) have been synthesized in the presence of 3-picoline and 4-picoline. Two complexes were characterized by FT-IR, UV-vis spectroscopic methods and their thermal stabilities were determined by TG/DTA/DTG techniques. The crystal structures of 1 and 2 were established by X-ray analysis. X-ray structure analysis has shown that copper(II) has a distorted square-pyramidal geometry. Naproxenate is a bridging ligand in 1 and monodentate in 2. Two complexes have shown catalytic activity on oxidation of 3,5-di-tert-butylcatechol to 3,5-di-tert-butylquinone exhibiting saturation kinetics at high substrate concentrations. The complexes were also screened for antimicrobial activity against pathogenic bacteria and fungi. The complexes exhibited antimicrobial activity against Entrococcus faecalis and Candida albicans.Öğe New metal complexes with diclofenac containing 2-pyridineethanol or 2-pyridinepropanol: synthesis, structural, spectroscopic, thermal properties, catechol oxidase and carbonic anhydrase activities(Taylor & Francis Ltd, 2016) Caglar, Sema; Dilek, Esra; Caglar, Bulent; Adiguzel, Ekrem; Temel, Ersin; Buyukgungor, Orhan; Tabak, AhmetFour new neutral diclofenac-based complexes, [Co(dicl)2(2-pyet)2] 1, [Ni(dicl)2(2-pyet)2] 2, [Cu2(dicl)2(2-pyet)2] 3, and [Cu2(dicl)2(2-pypr)2] 4 have been synthesized and characterized by elemental analysis, FT-IR, thermal analysis. Complexes 1, 3, and 4 have also been characterized by X-ray single-crystal structural analysis. The compounds of Co(II) and Ni(II) have octahedral geometry with two diclofenac and two 2-pyridineethanol ligands in the coordination sphere. The compounds of Cu(II) have square-pyramidal geometry and Cu(II) ions are linked via oxygens to the bridging 2-pyridineethanol or 2-pyridinepropanol ligands. The values acquired by FT-IR are in agreement with the single XRD data. Studies on the thermal properties are reported and the complexes are stable to 196, 216, 215, and 201 degrees C in air, respectively. Two dinuclear Cu(II) complexes have demonstrated catalytic activity on oxidation of 3,5-di-tert-butylcatechol to 3,5-di-tert-butylquinone showing saturation kinetics at high substrate concentrations. The diclofenac complexes are investigated as inhibitors of the human cytosolic isoforms hCA I and II. The complexes are good as hCA I inhibitors (Kis of 1.52-55.06M) but only moderately efficient as hCA II inhibitors (Kis of 0.23-5.61M). [GRAPHICS] .Öğe The Structure of (Z)-6-[(2-chlorophenylamino)methylene]-2-hydroxycyclohexa-2,4-dienone at Two Different Temperatures.(Int Union Crystallography, 2009) Temel, Ersin; Albayrak, Cigdcm; Odabasoglu, Mustafa; Buyukgungor, Orhan[No abstract available]
